2-[2-(diethylamino)ethylamino]-1-naphthalen-2-ylethanol

C18H26N2O — CID 60896233

IUPAC2-[2-(diethylamino)ethylamino]-1-naphthalen-2-ylethanol
SMILESCCN(CC)CCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C18H26N2O/c1-3-20(4-2)12-11-19-14-18(21)17-10-9-15-7-5-6-8-16(15)13-17/h5-10,13,18-19,21H,3-4,11-12,14H2,1-2H3
InChIKeyRJOPNVMBBROQME-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.80
Rot. Bonds8

About 2-[2-(diethylamino)ethylamino]-1-naphthalen-2-ylethanol

2-[2-(diethylamino)ethylamino]-1-naphthalen-2-ylethanol (PubChem CID 60896233) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-1-naphthalen-2-ylethanol
PubChem CID60896233
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[2-(diethylamino)ethylamino]-1-naphthalen-2-ylethanol
SMILESCCN(CC)CCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C18H26N2O/c1-3-20(4-2)12-11-19-14-18(21)17-10-9-15-7-5-6-8-16(15)13-17/h5-10,13,18-19,21H,3-4,11-12,14H2,1-2H3
InChIKeyRJOPNVMBBROQME-UHFFFAOYSA-N
XLogP2.80
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Pronethalol
CID 4930
(1S,2S)-3-(Methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631904
Pronetalol hydrochloride
CID 60975
AN-1792
CID 3029491
2-Amino-1-(naphthalen-2-yl)ethan-1-ol
CID 2735379
Butidrine
CID 15177
Pronetalol, (R)-
CID 6604181
(1R,2R)-3-(methylamino)-2-(naphthalen-2-yl)-1-phenylpropan-1-ol
CID 20631901
SN 1796
CID 213804
2-Amino-1-(naphthalen-1-yl)ethan-1-ol
CID 16768136
(3,3-Dimethylaziridin-2-yl)-naphthalen-2-ylmethanol
CID 12398053
2-[4-(4-Methylphenyl)butan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44522678

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-1-naphthalen-2-ylethanol?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-1-naphthalen-2-ylethanol (CID 60896233) is 2-[2-(diethylamino)ethylamino]-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-1-naphthalen-2-ylethanol is CCN(CC)CCNCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-1-naphthalen-2-ylethanol?
The InChIKey is RJOPNVMBBROQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-20(4-2)12-11-19-14-18(21)17-10-9-15-7-5-6-8-16(15)13-17/h5-10,13,18-19,21H,3-4,11-12,14H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-1-naphthalen-2-ylethanol?
2-[2-(diethylamino)ethylamino]-1-naphthalen-2-ylethanol has a molecular weight of 286.42 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-1-naphthalen-2-ylethanol is sourced from PubChem (CID 60896233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).